1-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]pyridin-1-ium-3-carboxamide Formula: C17H18N3O3+ MolecularWeight: 312.34312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C17H17N3O3/c1-11(20-9-3-4-14(10-20)16(18)22)17(23)19-15-7-5-13(6-8-15)12(2)21/h3-11H,1-2H3,(H2-,18,19,21,22,23)/p+1/t11-/m1/s1